Mgr. Aleš Křenek, Ph.D.
Research and development staff II, Core Facilities
Office: G308
Šumavská 416/15
602 00 Brno
Phone: | +420 549 49 4212 |
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E‑mail: |
social and academic networks: |
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Total number of publications: 66
2016
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Direct SAXS Curve Fitting with an Ensable of Conformations
Year: 2016, type: Appeared in Conference without Proceedings
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Guided Optimization Method for Fast and Accurate Atomic Charges Computation
Proceedings of the 2016 European Simulation and Modelling Conference, year: 2016
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NEEMP – nástroj pro parametrizaci EEM
Year: 2016, type: Conference abstract
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NEEMP: software for validation, accurate calculation and fast parameterization of EEM charges
Journal of Cheminformatics, year: 2016, volume: 8, edition: October, DOI
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Parametrizace ekvalizace elektronegativity metodou diferenciální evoluce
Year: 2016, type: Conference abstract
2015
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Accurate Fitting SAXS Curves with NMR Structure Ensembles
Proceedings of International Symposium on Grids and Clouds 2015, year: 2015
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High-quality and universal empirical atomic charges for chemoinformatics applications
Journal of Cheminformatics, year: 2015, volume: 7, edition: DEC, DOI
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Nonlinear vs. linear biasing in Trp-cage folding simulations
Journal of the chemical society. Faraday transactions II, Journal of chemical physics, year: 2015, volume: 142, edition: 11, DOI
2014
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Genome assembly and annotation for red clover (Trifolium pratense; Fabaceae)
American Journal of Botany, year: 2014, volume: 101, edition: 2, DOI
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NEEMP – Tool for parameterization of empirical charge calculation method EEM
Year: 2014, type: Conference abstract